1-cyclopentylpyrazole-4-carboxylic acid

C9H12N2O2 — CID 19620020

IUPAC1-cyclopentylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCCC2)c1
InChIInChI=1S/C9H12N2O2/c12-9(13)7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,12,13)
InChIKeyLJUUTQPCNJARAA-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.70
Rot. Bonds2

About 1-cyclopentylpyrazole-4-carboxylic acid

1-cyclopentylpyrazole-4-carboxylic acid (PubChem CID 19620020) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-cyclopentylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentylpyrazole-4-carboxylic acid
PubChem CID19620020
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-cyclopentylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CCCC2)c1
InChIInChI=1S/C9H12N2O2/c12-9(13)7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,12,13)
InChIKeyLJUUTQPCNJARAA-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylpyrazole-4-carboxylic acid?
The IUPAC name of 1-cyclopentylpyrazole-4-carboxylic acid (CID 19620020) is 1-cyclopentylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclopentylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-cyclopentylpyrazole-4-carboxylic acid is O=C(O)c1cnn(C2CCCC2)c1.
What is the InChIKey of 1-cyclopentylpyrazole-4-carboxylic acid?
The InChIKey is LJUUTQPCNJARAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9(13)7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8H,1-4H2,(H,12,13).
What are the key properties of 1-cyclopentylpyrazole-4-carboxylic acid?
1-cyclopentylpyrazole-4-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylpyrazole-4-carboxylic acid is sourced from PubChem (CID 19620020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).